2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol

C14H21NO — CID 117118250

IUPAC2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol
SMILESCc1cc(O)c(C)c(C)c1CC1CCCN1
InChIInChI=1S/C14H21NO/c1-9-7-14(16)11(3)10(2)13(9)8-12-5-4-6-15-12/h7,12,15-16H,4-6,8H2,1-3H3
InChIKeyRBOKAHUEIAYSMU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.61
Rot. Bonds2

About 2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol

2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117118250) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117118250
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol
SMILESCc1cc(O)c(C)c(C)c1CC1CCCN1
InChIInChI=1S/C14H21NO/c1-9-7-14(16)11(3)10(2)13(9)8-12-5-4-6-15-12/h7,12,15-16H,4-6,8H2,1-3H3
InChIKeyRBOKAHUEIAYSMU-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 84812962
3-bromo-5-methyl-4-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117483454
2-[(2-bromo-4,6-dimethylphenyl)methyl]pyrrolidine
CID 84808310
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117428488
2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117313107
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320371
2,3,5-trimethyl-4-pyrrolidin-2-ylphenol
CID 117116773
3,4-dimethyl-5-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117342837
2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine
CID 84808311

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol (CID 117118250) is 2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol is Cc1cc(O)c(C)c(C)c1CC1CCCN1.
What is the InChIKey of 2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is RBOKAHUEIAYSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-7-14(16)11(3)10(2)13(9)8-12-5-4-6-15-12/h7,12,15-16H,4-6,8H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol?
2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 219.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117118250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).